SCHEMBL8256384

SCHEMBL8256384

CC(C)C[C@H](N[C@@H](Cc1ccc(-c2cccc(Cl)c2)o1)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.50
MAPK1 P28482 1/20 0.49
C3AR1 Q16581 1/20 0.44
S1PR4 O95977 1/20 0.43
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
MME P08473 1/20 0.42
ACE2 Q9BYF1 4/20 0.42
ACE P12821 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAP3K5 Q99683 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC9A1 P19634 1/20 0.40
CNR2 P34972 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5869847 1.00 SOS1 (0.50) SOS1MAPK1C3AR1S1PR4GRN
SCHEMBL5869852 1.00 SOS1 (0.50) SOS1MAPK1C3AR1S1PR4GRN
SCHEMBL5869861 1.00 SOS1 (0.50) SOS1MAPK1C3AR1S1PR4GRN
SCHEMBL5870485 0.92 GRN (0.49) SOS1MAPK1C3AR1GRNSORT1
SCHEMBL5870482 0.92 GRN (0.49) SOS1MAPK1C3AR1GRNSORT1
SCHEMBL6933860 0.92 GRN (0.49) SOS1MAPK1C3AR1GRNSORT1
SCHEMBL5870491 0.92 GRN (0.49) SOS1MAPK1C3AR1GRNSORT1
SCHEMBL5869333 0.88 ALDH1A1 (0.49) GRNSORT1ALDH1A1ACE2ACE
SCHEMBL6932573 0.88 ALDH1A1 (0.49) GRNSORT1ALDH1A1ACE2ACE
SCHEMBL5869737 0.88 ALDH1A1 (0.49) GRNSORT1ALDH1A1ACE2ACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 SOS1 4722/4885MAPK1 1850/4885C3AR1 1235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.